CID 43164318

Quinolin-8-ylmethanesulfonamide

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂S

SMILES

C1=CC2=C(C(=C1)CS(=O)(=O)N)N=CC=C2

InChI

InChI=1S/C10H10N2O2S/c11-15(13,14)7-9-4-1-3-8-5-2-6-12-10(8)9/h1-6H,7H2,(H2,11,13,14)

InChIKey

KRSUKFVWNHJITF-UHFFFAOYSA-N

Compound name

quinolin-8-ylmethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 222.0463 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	223.053576	144.6
[M+Na]+	245.035518	154.1
[M-H]-	221.039024	147.7
[M+NH4]+	240.080123	162.7
[M+K]+	261.009458	149.9
[M+H-H2O]+	205.043560	138.3
[M+HCOO]-	267.044501	161.9
[M+CH3COO]-	281.060151	186.4
[M+Na-2H]-	243.020966	152.1
[M]+	222.04575142	146.1
[M]-	222.04684858	146.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe